2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C13H17NO5S2 — CID 63780260

IUPAC2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C13H17NO5S2/c1-3-12-14(9(8-20-12)13(15)16)21(17,18)11-7-5-4-6-10(11)19-2/h4-7,9,12H,3,8H2,1-2H3,(H,15,16)
InChIKeyVEEQVEDANWJQTK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.62
Rot. Bonds5

About 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780260) has the molecular formula C13H17NO5S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780260
Molecular FormulaC13H17NO5S2
Molecular Weight331.42 g/mol
Exact Mass331.05
IUPAC Name2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C13H17NO5S2/c1-3-12-14(9(8-20-12)13(15)16)21(17,18)11-7-5-4-6-10(11)19-2/h4-7,9,12H,3,8H2,1-2H3,(H,15,16)
InChIKeyVEEQVEDANWJQTK-UHFFFAOYSA-N
XLogP1.62
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 63780260) is 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1S(=O)(=O)c1ccccc1OC.
What is the InChIKey of 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VEEQVEDANWJQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S2/c1-3-12-14(9(8-20-12)13(15)16)21(17,18)11-7-5-4-6-10(11)19-2/h4-7,9,12H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 331.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).